5-ethyl-2,5-dihydrofuran-2-carboxylic acid

C7H10O3 — CID 12634721

IUPAC5-ethyl-2,5-dihydrofuran-2-carboxylic acid
SMILESCCC1C=CC(C(=O)O)O1
InChIInChI=1S/C7H10O3/c1-2-5-3-4-6(10-5)7(8)9/h3-6H,2H2,1H3,(H,8,9)
InChIKeyLLUILWFMNULSAD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.80
Rot. Bonds2

About 5-ethyl-2,5-dihydrofuran-2-carboxylic acid

5-ethyl-2,5-dihydrofuran-2-carboxylic acid (PubChem CID 12634721) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-ethyl-2,5-dihydrofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2,5-dihydrofuran-2-carboxylic acid
PubChem CID12634721
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-ethyl-2,5-dihydrofuran-2-carboxylic acid
SMILESCCC1C=CC(C(=O)O)O1
InChIInChI=1S/C7H10O3/c1-2-5-3-4-6(10-5)7(8)9/h3-6H,2H2,1H3,(H,8,9)
InChIKeyLLUILWFMNULSAD-UHFFFAOYSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-ethyl-2,5-dihydrofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dihydrofuran-2-carboxylic acid?
The IUPAC name of 5-ethyl-2,5-dihydrofuran-2-carboxylic acid (CID 12634721) is 5-ethyl-2,5-dihydrofuran-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-2,5-dihydrofuran-2-carboxylic acid?
The canonical SMILES for 5-ethyl-2,5-dihydrofuran-2-carboxylic acid is CCC1C=CC(C(=O)O)O1.
What is the InChIKey of 5-ethyl-2,5-dihydrofuran-2-carboxylic acid?
The InChIKey is LLUILWFMNULSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-5-3-4-6(10-5)7(8)9/h3-6H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-2,5-dihydrofuran-2-carboxylic acid?
5-ethyl-2,5-dihydrofuran-2-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dihydrofuran-2-carboxylic acid is sourced from PubChem (CID 12634721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).